[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H21NO3S — CID 2338047

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCC1CCCCC1
InChIInChI=1S/C15H21NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h6-7,11-12H,1-5,8-10H2,(H,16,17)
InChIKeyWCASLBBJEHPKHI-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.53
Rot. Bonds6

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2338047) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2338047
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCC1CCCCC1
InChIInChI=1S/C15H21NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h6-7,11-12H,1-5,8-10H2,(H,16,17)
InChIKeyWCASLBBJEHPKHI-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4282910
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4373915
[2-(1-Adamantylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4881521
2-(Benzylamino)-2-oxoethyl thiophen-3-ylacetate
CID 2337887
[2-(Cyclohexylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2338015
[2-(Cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2999349
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3359928
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
CID 3704975
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16540250
Ethyl 1-[2-(2-thiophen-3-ylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 2334424
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 3427034
2-[(4-Fluorobenzyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2437379

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2338047) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is WCASLBBJEHPKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h6-7,11-12H,1-5,8-10H2,(H,16,17).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 295.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2338047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).